(2S)-1-(trifluoromethoxy)propan-2-amine;hydrochloride

C4H9ClF3NO — CID 121000302

IUPAC(2S)-1-(trifluoromethoxy)propan-2-amine;hydrochloride
SMILESC[C@H](N)COC(F)(F)F.Cl
InChIInChI=1S/C4H8F3NO.ClH/c1-3(8)2-9-4(5,6)7;/h3H,2,8H2,1H3;1H/t3-;/m0./s1
InChIKeyZJGKYDGXVATMFY-DFWYDOINSA-N
MW179.57 g/mol
LogP1.29
Rot. Bonds2

About (2S)-1-(trifluoromethoxy)propan-2-amine;hydrochloride

(2S)-1-(trifluoromethoxy)propan-2-amine;hydrochloride (PubChem CID 121000302) has the molecular formula C4H9ClF3NO and a molecular weight of 179.57 g/mol. Its IUPAC name is (2S)-1-(trifluoromethoxy)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-1-(trifluoromethoxy)propan-2-amine;hydrochloride
PubChem CID121000302
Molecular FormulaC4H9ClF3NO
Molecular Weight179.57 g/mol
Exact Mass179.03
IUPAC Name(2S)-1-(trifluoromethoxy)propan-2-amine;hydrochloride
SMILESC[C@H](N)COC(F)(F)F.Cl
InChIInChI=1S/C4H8F3NO.ClH/c1-3(8)2-9-4(5,6)7;/h3H,2,8H2,1H3;1H/t3-;/m0./s1
InChIKeyZJGKYDGXVATMFY-DFWYDOINSA-N
XLogP1.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.57
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(trifluoromethoxy)propan-2-amine;hydrochloride?
The IUPAC name of (2S)-1-(trifluoromethoxy)propan-2-amine;hydrochloride (CID 121000302) is (2S)-1-(trifluoromethoxy)propan-2-amine;hydrochloride.
What is the SMILES notation for (2S)-1-(trifluoromethoxy)propan-2-amine;hydrochloride?
The canonical SMILES for (2S)-1-(trifluoromethoxy)propan-2-amine;hydrochloride is C[C@H](N)COC(F)(F)F.Cl.
What is the InChIKey of (2S)-1-(trifluoromethoxy)propan-2-amine;hydrochloride?
The InChIKey is ZJGKYDGXVATMFY-DFWYDOINSA-N. The full InChI is InChI=1S/C4H8F3NO.ClH/c1-3(8)2-9-4(5,6)7;/h3H,2,8H2,1H3;1H/t3-;/m0./s1.
What are the key properties of (2S)-1-(trifluoromethoxy)propan-2-amine;hydrochloride?
(2S)-1-(trifluoromethoxy)propan-2-amine;hydrochloride has a molecular weight of 179.57 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(trifluoromethoxy)propan-2-amine;hydrochloride is sourced from PubChem (CID 121000302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).